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CHEBI:172769 - (+)-Isoxanthochymol

ChEBI IDCHEBI:172769
ChEBI Name(+)-Isoxanthochymol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50O6
Net Charge0
Average Mass602.812
Monoisotopic Mass602.36074
SMILESCC(C)=CCC1CC23CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
InChIInChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3
InChIKeyKXTNVBQRLRYVCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
(+)-Isoxanthochymol (CHEBI:172769) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
Manual XrefsDatabases
26503906ChemSpider
HMDB0029485HMDB